SCHEMBL23399588

SCHEMBL23399588

CCCCn1nc(O)c(C)c1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.33
ESR1 P03372 2/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23399303 0.89 ADORA2A (0.33) ESR1
SCHEMBL23401723 0.83 FFAR1 (0.33) NR1H3ESR1CNR1CNR2
SCHEMBL23399265 0.82 ADORA2A (0.32)
SCHEMBL23399285 0.81 ESR1 (0.31) ESR1CNR1CNR2
SCHEMBL23402804 0.80 ESR1 (0.31) ESR1CNR1CNR2
SCHEMBL23399258 0.79 ADORA2A (0.35) NR1H3ESR1CNR1CNR2
SCHEMBL23399956 0.79 CNR1 (0.34) ESR1CNR1CNR2
SCHEMBL23403385 0.79 ESR1 (0.31) ESR1
SCHEMBL23402270 0.78 NR1H3 (0.37) NR1H3ESR1CNR1CNR2
SCHEMBL23399449 0.77 SMN1; SMN2 (0.34)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed